[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C17H16N4O5 MolecularWeight: 356.33274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C17H16N4O5/c1-20-13(9-15(23)21(2)17(20)25)10-26-16(24)11-3-5-12(6-4-11)19-14(22)7-8-18/h3-6,9H,7,10H2,1-2H3,(H,19,22)